3-chloro-N-(4-phenylphenyl)benzenesulfonamide

C18H14ClNO2S — CID 134146714

IUPAC3-chloro-N-(4-phenylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClNO2S/c19-16-7-4-8-18(13-16)23(21,22)20-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-13,20H
InChIKeyWKULSYLYTJAMSV-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.81
Rot. Bonds4

About 3-chloro-N-(4-phenylphenyl)benzenesulfonamide

3-chloro-N-(4-phenylphenyl)benzenesulfonamide (PubChem CID 134146714) has the molecular formula C18H14ClNO2S and a molecular weight of 343.84 g/mol. Its IUPAC name is 3-chloro-N-(4-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-phenylphenyl)benzenesulfonamide
PubChem CID134146714
Molecular FormulaC18H14ClNO2S
Molecular Weight343.84 g/mol
Exact Mass343.04
IUPAC Name3-chloro-N-(4-phenylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClNO2S/c19-16-7-4-8-18(13-16)23(21,22)20-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-13,20H
InChIKeyWKULSYLYTJAMSV-UHFFFAOYSA-N
XLogP4.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-phenylphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-phenylphenyl)benzenesulfonamide (CID 134146714) is 3-chloro-N-(4-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-phenylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-phenylphenyl)benzenesulfonamide?
The InChIKey is WKULSYLYTJAMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2S/c19-16-7-4-8-18(13-16)23(21,22)20-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-13,20H.
What are the key properties of 3-chloro-N-(4-phenylphenyl)benzenesulfonamide?
3-chloro-N-(4-phenylphenyl)benzenesulfonamide has a molecular weight of 343.84 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 134146714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).